Vitas-M small molecule compound
(2E)-1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK178987
SMILES CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)/C=C/c1ccc(cc1)OC)NCc1ccc(cc1)OCC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H33N5O4 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O4/c1-4-38-26-15-8-23(9-16-26)20-31-29-33-30(32-21-24-10-17-27(18-11-24)39-5-2)35(34-29)28(36)19-12-22-6-13-25(37-3)14-7-22/h6-19H,4-5,20-21H2,1-3H3,(H2,31,32,33,34)/b19-12+InChIKey
MWRUBLALGRAWLH-XDHOZWIPSA-NSynonyms
(2E)1(35BIS((4ETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(4METHOXYPHENYL)PROP2EN1ONE
(E)1(35bis((4ethoxyphenyl)methylamino)124triazol1yl)3(4methoxyphenyl)prop2en1one
CCOC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OCC)C(=O)C=CC4=CC=C(C=C4)OC
CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)C=Cc1ccc(cc1)OC)NCc1ccc(cc1)OCC
InChI=1SC30H33N5O4c14382615823(91626)2031293330(322124101727(181124)3952)35(3429)28(36)19122261325(373)14722h619H452021H213H3(H231323334)b1912+
MFCD06664049
ZINC000009948648
ZINC09948648
ZINC9948648
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